4-azanyl-5-(benzimidazol-1-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-azanyl-5-(benzimidazol-1-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-amino-5-(benzimidazol-1-ylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-amino-5-(1-benzimidazolylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-amino-5-(benzimidazol-1-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-amino-5-(benzimidazol-1-ylmethyl)-1,2,4-triazole-3-thiolate Formula: C10H9N6S- MolecularWeight: 245.28366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC3=NN=C(N3N)[S-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CC3=NN=C(N3N)[S-]

InChI

InChI=1S/C10H10N6S/c11-16-9(13-14-10(16)17)5-15-6-12-7-3-1-2-4-8(7)15/h1-4,6H,5,11H2,(H,14,17)/p-1